| SpectraBase Spectrum ID |
JE0tgY4zCnw |
| Name |
(1R,2R,4S,4ar)-1,2-Dimethyl-4-(1-methylethenyl)-7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4A-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.162314299 u |
| Formula |
C16H21NO |
| InChI |
InChI=1S/C16H21NO/c1-10(2)14-7-11(3)12(4)15-8-13(18)5-6-16(14,15)9-17/h8,11-12,14H,1,5-7H2,2-4H3/t11-,12-,14+,16-/m1/s1 |
| InChIKey |
UJBZDPSLKBADOO-UNIGVISCSA-N |
| Molecular Weight |
243.350 g/mol |
| SMILES |
C=1C(CC[C@]2([C@@](C[C@]([C@](C12)(C)[H])(C)[H])(C(=C)C)[H])C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811221 |
